2-[(2-aminoquinolin-3-yl)methyl]-1H-pyridazine-3,6-dione

C14H12N4O2 — CID 62208158

IUPAC2-[(2-aminoquinolin-3-yl)methyl]-1H-pyridazine-3,6-dione
SMILESNc1nc2ccccc2cc1Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C14H12N4O2/c15-14-10(7-9-3-1-2-4-11(9)16-14)8-18-13(20)6-5-12(19)17-18/h1-7H,8H2,(H2,15,16)(H,17,19)
InChIKeyWJNZDCOEGOEBGT-UHFFFAOYSA-N
MW268.28 g/mol
LogP0.72
Rot. Bonds2

About 2-[(2-aminoquinolin-3-yl)methyl]-1H-pyridazine-3,6-dione

2-[(2-aminoquinolin-3-yl)methyl]-1H-pyridazine-3,6-dione (PubChem CID 62208158) has the molecular formula C14H12N4O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 2-[(2-aminoquinolin-3-yl)methyl]-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name2-[(2-aminoquinolin-3-yl)methyl]-1H-pyridazine-3,6-dione
PubChem CID62208158
Molecular FormulaC14H12N4O2
Molecular Weight268.28 g/mol
Exact Mass268.10
IUPAC Name2-[(2-aminoquinolin-3-yl)methyl]-1H-pyridazine-3,6-dione
SMILESNc1nc2ccccc2cc1Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C14H12N4O2/c15-14-10(7-9-3-1-2-4-11(9)16-14)8-18-13(20)6-5-12(19)17-18/h1-7H,8H2,(H2,15,16)(H,17,19)
InChIKeyWJNZDCOEGOEBGT-UHFFFAOYSA-N
XLogP0.72
TPSA93.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-2-quinolin-2-yl-1H-pyrazol-3-one
CID 459731
3-(2-Aminoquinolin-3-Yl)-N-(Cyclohexylmethyl)propanamide
CID 53346495
1-[(2-amino-3-methylquinolin-7-yl)methyl]-N-methyl-6-oxo-N-phenylpyridine-2-carboxamide
CID 168273065
3-Amino-2-[2-(4-quinolin-2-ylpiperazin-1-yl)ethyl]-5,6,7,8-tetrahydro-3h-quinazolin-4-one
CID 23155906
N-(7-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]quinolin-1-yl)acetamide
CID 4908746
1-methyl-4-[(E)-C-methyl-N-[(4-methylquinolin-2-yl)amino]carbonimidoyl]-2-phenylpyrazol-3-one
CID 70702092
(E)-2-cyano-3-(2-piperidin-1-ylquinolin-3-yl)prop-2-enamide
CID 1515820
1-Ethyl-3-quinolin-2-ylurea
CID 137645382
3-amino-N-quinolin-2-ylpropanamide
CID 58812813
2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-quinolin-2-ylacetamide
CID 53558835
1-(3-Aminopropyl)-3-quinolin-2-ylurea
CID 85987448
13-Methyl-2,12,16,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13-heptaen-15-one
CID 118726130

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminoquinolin-3-yl)methyl]-1H-pyridazine-3,6-dione?
The IUPAC name of 2-[(2-aminoquinolin-3-yl)methyl]-1H-pyridazine-3,6-dione (CID 62208158) is 2-[(2-aminoquinolin-3-yl)methyl]-1H-pyridazine-3,6-dione.
What is the SMILES notation for 2-[(2-aminoquinolin-3-yl)methyl]-1H-pyridazine-3,6-dione?
The canonical SMILES for 2-[(2-aminoquinolin-3-yl)methyl]-1H-pyridazine-3,6-dione is Nc1nc2ccccc2cc1Cn1[nH]c(=O)ccc1=O.
What is the InChIKey of 2-[(2-aminoquinolin-3-yl)methyl]-1H-pyridazine-3,6-dione?
The InChIKey is WJNZDCOEGOEBGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2/c15-14-10(7-9-3-1-2-4-11(9)16-14)8-18-13(20)6-5-12(19)17-18/h1-7H,8H2,(H2,15,16)(H,17,19).
What are the key properties of 2-[(2-aminoquinolin-3-yl)methyl]-1H-pyridazine-3,6-dione?
2-[(2-aminoquinolin-3-yl)methyl]-1H-pyridazine-3,6-dione has a molecular weight of 268.28 g/mol, XLogP of 0.72, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminoquinolin-3-yl)methyl]-1H-pyridazine-3,6-dione is sourced from PubChem (CID 62208158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).